(5R)-5-methyl-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione

C14H14N4O2 — CID 70910719

IUPAC(5R)-5-methyl-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione
SMILESCn1cncc1-c1ccc([C@@]2(C)NC(=O)NC2=O)cc1
InChIInChI=1S/C14H14N4O2/c1-14(12(19)16-13(20)17-14)10-5-3-9(4-6-10)11-7-15-8-18(11)2/h3-8H,1-2H3,(H2,16,17,19,20)/t14-/m1/s1
InChIKeyNWBSOPBCNRNMFC-CQSZACIVSA-N
MW270.29 g/mol
LogP1.14
Rot. Bonds2

About (5R)-5-methyl-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione

(5R)-5-methyl-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione (PubChem CID 70910719) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is (5R)-5-methyl-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-methyl-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione
PubChem CID70910719
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name(5R)-5-methyl-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione
SMILESCn1cncc1-c1ccc([C@@]2(C)NC(=O)NC2=O)cc1
InChIInChI=1S/C14H14N4O2/c1-14(12(19)16-13(20)17-14)10-5-3-9(4-6-10)11-7-15-8-18(11)2/h3-8H,1-2H3,(H2,16,17,19,20)/t14-/m1/s1
InChIKeyNWBSOPBCNRNMFC-CQSZACIVSA-N
XLogP1.14
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze (5R)-5-methyl-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-methyl-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione (CID 70910719) is (5R)-5-methyl-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-methyl-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-methyl-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione is Cn1cncc1-c1ccc([C@@]2(C)NC(=O)NC2=O)cc1.
What is the InChIKey of (5R)-5-methyl-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione?
The InChIKey is NWBSOPBCNRNMFC-CQSZACIVSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-14(12(19)16-13(20)17-14)10-5-3-9(4-6-10)11-7-15-8-18(11)2/h3-8H,1-2H3,(H2,16,17,19,20)/t14-/m1/s1.
What are the key properties of (5R)-5-methyl-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione?
(5R)-5-methyl-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione has a molecular weight of 270.29 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 70910719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).